Compound Detail
CHEMBL150872
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Basic Information
| ChEMBL ID | CHEMBL150872 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCLCEMQUHSEJAD-LVZFUZTISA-N |
2
Targets
3
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
424.4
MW (Da)
2.94
ALogP
10
HBA
1
HBD
140.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.18
IC50 1 meas. best 8.0
Ki 1 meas. best 8.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent L-type calcium channel subunit alpha-1D CHEMBL4132 | Ki | 8.33 | 8.33 | 4.7 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 8.18 | 8.18 | 6.6 | 1 |
| Voltage-dependent L-type calcium channel subunit alpha-1D CHEMBL4132 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-dependent L-type calcium channel subunit alpha-1D | Ki | = | 4.7 | nM | 8.33 | Binding affinity for L-type [Ca2+] channels was measured through displacement of... | 9876109 |
| Rattus norvegicus | EC50 | = | 6.6 | nM | 8.18 | Vasodilator activity was measured on rat aorta in the presence of guanylate cycl... | 9876109 |
| Voltage-dependent L-type calcium channel subunit alpha-1D | IC50 | = | 10.0 | nM | 8.0 | Inhibitory concentration for L-type [Ca2+] channels was measured through displac... | 9876109 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9876109 | 10.1021/jm9803267 | Rattus norvegicus | 2 |
| 9876109 | 10.1021/jm9803267 | Voltage-dependent L-type calcium channel subunit alpha-1D | 2 |
Data from ChEMBL 36 via Core Engine